Communication: UV photoionization of cytosine catalyzed by Ag+

The photo-induced damages of DNA in interaction with metal cations, which are found in various environments, still remain to be characterized. In this paper, we show how the complexation of a DNA base (cytosine (Cyt)) with a metal cation (Ag+) changes its electronic properties. By means of UV photofragment spectroscopy of cold ions, it was found that the photoexcitation of the CytAg+ complex at low energy (315-282) nm efficiently leads to ionized cytosine (Cyt+) as the single product. This occurs through a charge transfer state in which an electron from the p orbital of Cyt is promoted to Ag+, as confirmed by ab initio calculations at the TD-DFT/B3LYP and RI-ADC(2) theory level using the SV(P) basis set. The low ionization energy of Cyt in the presence of Ag+ could have important implications as point mutation of DNA upon sunlight exposition.Fil: Taccone, Martín Ignacio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaFil: Féraud, Geraldine. Aix Marseille Université. Physique des Interactions Ioniques et Moléculaires; FranciaFil: Berdakin, Matias. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaFil: Dedonder Lardeux, Claude. Aix Marseille Université. Physique des Interactions Ioniques et Moléculaires; FranciaFil: Jouvet, Christophe. Physique des Interactions Ioniques et Moléculaires; FranciaFil: Pino, Gustavo Ariel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentin

Cotylophoron fülleborni Nasmark, 1937 (Trematoda: Paramphistomidae). Primer Reporte Para Venezuela

Paramphistomosis is a parasitic disease caused by trematodos belonging to the family Paramphistomidae. These parasites are found particularly in the rumen and reticulum, but may also be found in the smal intestine when inmature. Cotylophoron genus affects bovine, ovine, caprine, buffalo, and wild ruminants. It is widespread in tropical and subtropical regions where environmental conditions such as high humidity, as well as the presence of the suitable intermadiate host allow a successful development of its life cycle. In order to identify the species of Paramphistomidae, the parasites were collected directly from the rumen of 38 bovine that resulted positive in postmortem examination of 150 slaughtered. Parasites underwent histologic mid-sagittal sections, and then stained with hematoxylin and eosin; after which they were identified as Cotylophoron fülleborni. this is a first report in registering the Cotylophoron fülleborni presence in Venezuela.La paramfistomosis es una parasitosis ocasionada por trematodos pertenecientes a la familia Paramphistomidae, localizados principalmente en el rumen y retículo de rumiantes. El género Cotylophoron afecta bovinos, ovinos, caprinos, búfalos y rumiantes silvestres y está ampliamente distribuido en regiones tropicales y subtropicales en donde las condiciones de humedad y la presencia del hospedador intermediario adecuado permiten que su ciclo evolutivo se desarrolle completamente. Para la identificación de la especie se realizó la colecta de los parásitos directamente del rumen de 38 bovinos que resultaron positivos de 150 examinados y sacrificados a nivel de matadero. Los parásitos fueron sometidos a cortes histológicos sagitales a nivel medio y coloreados con hematoxilina-eosina e identificados como Cotylophoron fülleborni, constituyendo este el primer reporte de su presencia en Venezuela

Deflection of ultra high energy cosmic rays by the galactic magnetic field: from the sources to the detector

We report the results of 3D simulations of the trajectories of ultra-high energy protons and Fe nuclei (with energies $E = 4 \times 10^{19}$ and $2.5 \times 10^{20} eV$) propagating through the galactic magnetic field from the sources to the detector. A uniform distribution of anti-particles is backtracked from the detector, at the Earth, to the halo of the Galaxy. We assume an axisymmetric, large scale spiral magnetic field permeating both the disc and the halo. A normal field component to the galactic plane ($B_z$) is also included in part of the simulations. We find that the presence of a large scale galactic magnetic field does not generally affect the arrival directions of the protons, although the inclusion of a $B_z$ component may cause significant deflection of the lower energy protons ($E = 4 \times 10^{19}$ eV). Error boxes larger than or equal to $\sim 5^{\circ}$ are most expected in this case. On the other hand, in the case of heavy nuclei, the arrival direction of the particles is strongly dependent on the coordinates of the particle source. The deflection may be high enough ($> 20^{\circ}$) as to make extremely difficult any identification of the sources unless the real magnetic field configuration is accurately determined. Moreover, not every incoming particle direction is allowed between a given source and the detector. This generates sky patches which are virtually unobservable from the Earth. In the particular case of the UHE events of Yakutsk, Fly's Eye, and Akeno, they come from locations for which the deflection caused by the assumed magnetic field is not significant.Comment: LaTeX + 2 postscript figures - Color versions of both figures (highly recommended) available via anonymous ftp at ftp://capc07.ast.cam.ac.uk/pub/uhecr_gmf as fig*.g

Non-radiative processes in protonated diazines, pyrimidine bases and an aromatic azine

International audienceThe excited state lifetimes of DNA bases are often very short due to very efficient non-radiative processes assigned to the pp*–np* coupling. A set of protonated aromatic diazine molecules (pyridazine, pyrimidine and pyrazine C4H5N2+) and protonated pyrimidine DNA bases (cytosine, uracil and thymine), as well as the protonated pyridine (C5H6N+), have been investigated. For all these molecules except one tautomer of protonated uracil (enol–keto), electronic spectroscopy exhibits vibrational line broadening. Excited state geometry optimization at the CC2 level has been conducted to find out whether the excited state lifetimes measured from line broadening can be correlated to the calculated ordering of the pp* and np* states and the pp*–np* energy gap. The short lifetimes, observed when one nitrogen atom of the ring is not protonated, can be rationalized by relaxation of the pp* state to the np* state or directly to the electronic ground state through ring puckering

Rate coefficient and mechanism of the OH-Initiateddegradation of 1-chlorobutane: atmospheric implications

In this work, we investigate the degradation process of 1-chlorobutane, initiated by OH radicals, under atmospheric conditions (air pressure of 750 Torr and 296 K) from both experimental and theoretical approaches. In the first one, a relative kinetic method was used to obtain the rate coefficient for this reaction, while the products were identified for the first time (1-chloro-2-butanone, 1-chloro-2-butanol, 4-chloro-2-butanone, 3-hydroxy-butanaldehyde, and 3-chloro-2-butanol) using mass spectrometry, allowing suggesting a reaction mechanism. The theoretical calculations, for the reactive process, were computed using the BHandHLYP/6-311++G(d,p) level of theory, and the energies for all of the stationary points were refined at the CCSD(T) level. Five conformers for 1-chlorobutane and 33 reactive channels with OH radicals were found, which were considered to calculate the thermal rate coefficient (as the sum of the site-specific rate coefficients using canonical transition state theory). The theoretical rate coefficient (1.8 × 10-12 cm3 molecule-1 s-1) is in good agreement with the experimental value (2.22 ± 0.50) × 10-12 cm3 molecule-1 s-1 determined in this work. Finally, environmental impact indexes were calculated and a discussion on the atmospheric implications due to the emissions of this compound into the troposphere was given.Fil: Jara Toro, Rafael Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaFil: Barrera, Javier Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaFil: Aranguren Abrate, Juan Pablo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaFil: Taccone, Raúl A.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaFil: Pino, Gustavo Ariel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentin

Evaluation of methylparaben removal and microbial behavior using a SBR system

We evaluated the variation in microbial populations and the behavior of an SBR system in the removal of methylparaben (MePB). The experimentation was carried out for 14 weeks, in three operational stages as follows: stabilization (Stage I), (Stage II = 300 μgMePB/L and Stage III = 600 μgMePB/L). The variation of the microorganisms was analyzed over the experimentation time along with the contact with the pollutant to be degraded, and the removal percentage of COD and MePB, with results of 88±5,5% and 92±7,7% respectively. Kinetic of MePB removal was evaluated to obtain the rate constant of biological degradation, Kbiol. Using these kinetic results, the effect of different concentrations of MePB and biomass on biodegradation behavior was evaluated. Kbiol (LgSS-1d-1) values were obtained of 42.8 and 79 respectively; and 472±38.0 µgMePB/L, at biomass contents of 1466.7 and 2666.7 mgSSV/L, where Kbiol (LgSS-1d-1) values were obtained of 11.0 and 32.6 respectively. The variation of the microbial populations were analyzed using DGGE. The results obtained indicated that the populations presented similar characteristics between the stages. However, for the biomass samples of Stage I and stage III, significant differences were identified in the composition of microbial populations. Nonetheless, this did not affect the removal of MePB and the diversity conditions that characterize an aerobic system

Role of plankton communities in sea-air variations in pCO2 in the SW Atlantic Ocean

The influence of the plankton community structure on carbon dynamics was studied in the surface waters of the Argentinean continental shelf (SW Atlantic Ocean) in summer and fall 2002, 2003 and 2004, The horizontal changes in plankton community respiration (R), net community production (NCP) and gross primary production (GPP) were (1) compared with the difference in the partial pressure of CO2 (pCO2) between the sea surface and the atmosphere (ΔpCO2), (2) compared with oxygen saturation and (3) related to the microscopic phytoplankton assemblages, This area, which has recently been shown to be a CO2 sink, had an average surface oxygen saturation of 108.1%, indicating that net photosynthesis could have played a dominant role in the CO2 dynamics. At most stations, the production:respiration (GPP:R) ratio was greater than 1, indicating that planktonic communities were autotrophic; the average GPP:R ratio for the whole study was 2.99, Phytoplankton biomass (chlorophyll a) and NCP showed an inverse relationship with ΔpCO2 and a direct relationship with %O 2 saturation when phytoplankton assemblages were dominated by diatoms (30% of the stations), This was not the case when small (≤5 μm) flagellates were the most abundant organisms, Although NCP was mostly positive for both groups of stations (i.e. diatom-dominated or small flagellate- dominated), other physical and biological processes are thought to modify the CO2 dynamics when small flagellates are the prevailing phytoplankton group.Facultad de Ciencias Naturales y Muse

Magnetically Driven Outflows in a Starburst Environment

We here investigate the possibility that the observed collimated outflows in luminous infrared galaxies (LIGs) and some Seyfert galaxies can be produced in a starburst (SB) environment. A nuclear disk can be quickly produced by gas infall during star formation in a rotating, stellar cluster. We find that massive nuclear SBs with core disk masses M_d \sim 10^8 - 10^9 M_{\odot}, and supernova rates \nu_{SN} \simeq 5 \times 10^{-3} - 2 yr^{-1} (which are consistent with the \nu_{SN} values inferred from the observed non-thermal radio power in source candidates) may inject kinetic energies which are high enough to blow out directed flows from the accreting disk surface, within the SB lifetimes. In our models, the acceleration and collimation of the nuclear outflow are provided by magnetic fields anchored into the rotating SB-disk. The emerging outflow carries a kinetic power that is only a small fraction (a few percent) of the supernovae energy rate produced in the SB. Based on conditions determined from observed outflows and disks, we find that moderate disk magnetic fields (\gtrsim 8 \times 10^{-4} G) are able to accelerate the outflows up to the observed terminal velocities (\lesssim few 100 km s^{-1} in the case of the Seyfert galaxies, and \sim 400 - 950 km s^{-1} in the case of the LIGs). The outflow is produced within a wind zone in the disk of radius \lesssim 100 pc in the LIGs, and \lesssim 10 pc in the Seyferts, with wind mass loss to disk accretion rate ratios \dot M_w /\dot M_d \gtrsim 0.1 (where \dot M_d \sim 100 M_{\odot} yr^{-1}). The observation of rotating nuclear disks of gas within few 100 pc scales in source candidates like the LIG Arp 220, and magnetized outflows provide observational support for the picture drawn here.Comment: 31 pages, Latex file, 1 Figure, accepted for publication in the Astrophys. Journa

Excited States of Proton-bound DNA/RNA Base Homo-dimers: Pyrimidines

We are presenting the electronic photo fragment spectra of the protonated pyrimidine DNA bases homo-dimers. Only the thymine dimer exhibits a well structured vibrational progression, while protonated monomer shows broad vibrational bands. This shows that proton bonding can block some non radiative processes present in the monomer.Comment: We acknowledge the use of the computing facility cluster GMPCS of the LUMAT federation (FR LUMAT 2764

Retail Indicators Forecasting and Planning

We present a methodology to handle the problem of planning sales goals. The methodology supports the retail manager to carry out simulations to find the most plausible goals for the future. One of the novel aspects of this methodology is that the analysis is based not on current sales levels, as most previous works do, but on those in the future, making a more precise and accurate analysis of the situation. The work presents the solution for a scenario using three sales performance indicators: foot traffic, conversion rate and ticket mean value for sales, but it explains how it can be generalized to more indicators. The contribution of this work is in the first place a framework, which consists of a methodology for performing sales planning, then, an algorithm, which finds the best prediction model for a particular store, and finally, a tool, which helps sales planners to set realistic sales goals based on the predicted sales.  First we present the method to choose the best indicator prediction model for each retail store and then we present a tool which allows the retail manager estimate the improvements on the indicators in order to attain a desired sales goal level; the managers may then perform several simulations for various scenarios in a fast and efficient way. The developed tool implementing this methodology was validated by experts in the subject of administration of retail stores yielding good results